
 CHEMBL15965

 74 78  0  0  0  0  0  0  0  0999 V2000
    3.6910    1.9663    0.5585 C   0  0  0  0  0
    3.8994    0.5434    0.8301 N   0  0  0  0  0
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    2.0123    0.0014    0.0300 H   0  0  0  0  0
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    2.4769   -8.7423  -10.3935 H   0  0  0  0  0
    2.2017   -9.1350   -8.7071 H   0  0  0  0  0
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    1.8005   -6.7833  -11.9596 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL15965

>  <PubChem CID>
10696986

>  <Formula>
C28H37FN6O2

>  <Molecular Weight>
508.642000

>  <IUPAC Name>
1-[2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]urea

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CN1CCN(CC1)C2=C(C=CC(=C2)NC(=O)NCCN3CCC(CC3)C4=CNC5=C4C=CC(=C5)F)OC

>  <Isomeric SMILES>
CN1CCN(CC1)C2=C(C=CC(=C2)NC(=O)NCCN3CCC(CC3)C4=CNC5=C4C=CC(=C5)F)OC

>  <InChI Std. ID>
InChI=1S/C28H37FN6O2/c1-33-13-15-35(16-14-33)26-18-22(4-6-27(26)37-2)32-28(36)30-9-12-34-10-7-20(8-11-34)24-19-31-25-17-21(29)3-5-23(24)25/h3-6,17-20,31H,7-16H2,1-2H3,(H2,30,32,36)

>  <InChI Key>
FBHJLENKHMRXEZ-UHFFFAOYSA-N

